Geometry & MOs

Info

ID:	426999
PubChem CID:	135154965
Reduced:	O2N8C23H28 (1)
Stoich.:	A2B8C23D28 (1)
Weight, g/mol:	448.233522
ΔH_f, kcal/mol:	7.89
Dipole, Da:	9.95
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[5-(4-amino-N-methylanilino)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1COC(=O)N1C2=NC(=NC=C2)NC(C)C3=NC=C(C=N3)N(C)C4=CC=C(C=C4)N

DOS

IR

Vibrations